2-benzyl-3-(4-propan-2-ylphenyl)propanal

C19H22O — CID 170555574

IUPAC2-benzyl-3-(4-propan-2-ylphenyl)propanal
SMILESCC(C)c1ccc(CC(C=O)Cc2ccccc2)cc1
InChIInChI=1S/C19H22O/c1-15(2)19-10-8-17(9-11-19)13-18(14-20)12-16-6-4-3-5-7-16/h3-11,14-15,18H,12-13H2,1-2H3
InChIKeyVETMEQIUERBIOL-UHFFFAOYSA-N
MW266.38 g/mol
LogP4.41
Rot. Bonds6

About 2-benzyl-3-(4-propan-2-ylphenyl)propanal

2-benzyl-3-(4-propan-2-ylphenyl)propanal (PubChem CID 170555574) has the molecular formula C19H22O and a molecular weight of 266.38 g/mol. Its IUPAC name is 2-benzyl-3-(4-propan-2-ylphenyl)propanal.

Molecular Properties

Compound Name2-benzyl-3-(4-propan-2-ylphenyl)propanal
PubChem CID170555574
Molecular FormulaC19H22O
Molecular Weight266.38 g/mol
Exact Mass266.17
IUPAC Name2-benzyl-3-(4-propan-2-ylphenyl)propanal
SMILESCC(C)c1ccc(CC(C=O)Cc2ccccc2)cc1
InChIInChI=1S/C19H22O/c1-15(2)19-10-8-17(9-11-19)13-18(14-20)12-16-6-4-3-5-7-16/h3-11,14-15,18H,12-13H2,1-2H3
InChIKeyVETMEQIUERBIOL-UHFFFAOYSA-N
XLogP4.41
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-methyl-3-(4-propan-2-ylphenyl)propanal
CID 517827
(2S)-2-benzyl-4-phenylbutanal
CID 58416977
(2S)-2-benzyl-5-methylhex-4-enal
CID 11424225
benzyl N-[(2R)-1-oxo-3-(4-propan-2-ylphenyl)propan-2-yl]carbamate
CID 89155610
(2S)-2-methyl-3-[4-(2-phenylethyl)phenyl]propanal
CID 167484075
2-methyl-3,4-diphenylbutanal
CID 155047824
(2S)-2-benzyl-3-methylbutanal
CID 12021275
2-(2-propan-2-ylphenyl)propanal;3-(4-propan-2-ylphenyl)propanal
CID 129248961
1-(2-bromopropyl)-4-propan-2-ylbenzene
CID 82254877
formic acid;2-methylpropylbenzene
CID 162001374
1,4-di(propan-2-yl)benzene;propylbenzene
CID 174543060
2-bromo-3-phenylpropanal;ethane
CID 90858202

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-(4-propan-2-ylphenyl)propanal?
The IUPAC name of 2-benzyl-3-(4-propan-2-ylphenyl)propanal (CID 170555574) is 2-benzyl-3-(4-propan-2-ylphenyl)propanal.
What is the SMILES notation for 2-benzyl-3-(4-propan-2-ylphenyl)propanal?
The canonical SMILES for 2-benzyl-3-(4-propan-2-ylphenyl)propanal is CC(C)c1ccc(CC(C=O)Cc2ccccc2)cc1.
What is the InChIKey of 2-benzyl-3-(4-propan-2-ylphenyl)propanal?
The InChIKey is VETMEQIUERBIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O/c1-15(2)19-10-8-17(9-11-19)13-18(14-20)12-16-6-4-3-5-7-16/h3-11,14-15,18H,12-13H2,1-2H3.
What are the key properties of 2-benzyl-3-(4-propan-2-ylphenyl)propanal?
2-benzyl-3-(4-propan-2-ylphenyl)propanal has a molecular weight of 266.38 g/mol, XLogP of 4.41, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-(4-propan-2-ylphenyl)propanal is sourced from PubChem (CID 170555574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).